N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide

C13H15F3N2O — CID 110481257

IUPACN-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1F)C1CCCN1
InChIInChI=1S/C13H15F3N2O/c14-9-4-3-8(11(15)12(9)16)5-7-18-13(19)10-2-1-6-17-10/h3-4,10,17H,1-2,5-7H2,(H,18,19)
InChIKeyVQLCOUOMCJEIHZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide

N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 110481257) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID110481257
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1F)C1CCCN1
InChIInChI=1S/C13H15F3N2O/c14-9-4-3-8(11(15)12(9)16)5-7-18-13(19)10-2-1-6-17-10/h3-4,10,17H,1-2,5-7H2,(H,18,19)
InChIKeyVQLCOUOMCJEIHZ-UHFFFAOYSA-N
XLogP1.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 66927107
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299555
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide (CID 110481257) is N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1ccc(F)c(F)c1F)C1CCCN1.
What is the InChIKey of N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VQLCOUOMCJEIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-9-4-3-8(11(15)12(9)16)5-7-18-13(19)10-2-1-6-17-10/h3-4,10,17H,1-2,5-7H2,(H,18,19).
What are the key properties of N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110481257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).